[(2S)-3-[7,8-bis(oxidanyl)quinolin-1-ium-5-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanium dibromide

Systemtic Name: [(2S)-3-[7,8-bis(oxidanyl)quinolin-1-ium-5-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanium dibromide Openeye Name: [(1S)-1-[(7,8-dihydroxyquinolin-1-ium-5-yl)methyl]-2-hydroxy-2-oxo-ethyl]ammonium dibromide CAS Name: [(2S)-3-(7,8-dihydroxy-5-quinolin-1-iumyl)-1-hydroxy-1-oxopropan-2-yl]ammonium dibromide IUPAC Name: [(2S)-3-(7,8-dihydroxyquinolin-1-ium-5-yl)-1-hydroxy-1-oxopropan-2-yl]azanium dibromide Traditional Name: [(1S)-1-[(7,8-dihydroxyquinolin-1-ium-5-yl)methyl]-2-hydroxy-2-keto-ethyl]ammonium dibromide Formula: C12H14Br2N2O4 MolecularWeight: 410.05856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C(C=C2CC(C(=O)O)[NH3+])O)O)[NH+]=C1.[Br-].[Br-]

Isomeric SMILES

C1=CC2=C(C(=C(C=C2C[C@@H](C(=O)O)[NH3+])O)O)[NH+]=C1.[Br-].[Br-]

InChI

InChI=1S/C12H12N2O4.2BrH/c13-8(12(17)18)4-6-5-9(15)11(16)10-7(6)2-1-3-14-10;;/h1-3,5,8,15-16H,4,13H2,(H,17,18);2*1H/t8-;;/m0../s1